N-[(E)-[4-[(2-cyanophenyl)amino]-4-oxidanylidene-butan-2-ylidene]amino]-2-nitro-benzamide

Systemtic Name: N-[(E)-[4-[(2-cyanophenyl)amino]-4-oxidanylidene-butan-2-ylidene]amino]-2-nitro-benzamide Openeye Name: N-[(E)-[3-(2-cyanoanilino)-1-methyl-3-oxo-propylidene]amino]-2-nitro-benzamide CAS Name: N-[(E)-[4-(2-cyanoanilino)-4-oxobutan-2-ylidene]amino]-2-nitrobenzamide IUPAC Name: N-[(E)-[4-(2-cyanoanilino)-4-oxobutan-2-ylidene]amino]-2-nitrobenzamide Traditional Name: N-[(E)-[3-(2-cyanoanilino)-3-keto-1-methyl-propylidene]amino]-2-nitro-benzamide Formula: C18H15N5O4 MolecularWeight: 365.3428

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)C1=CC=CC=C1[N+](=O)[O-])CC(=O)NC2=CC=CC=C2C#N

Isomeric SMILES

C/C(=N\NC(=O)C1=CC=CC=C1[N+](=O)[O-])/CC(=O)NC2=CC=CC=C2C#N

InChI

InChI=1S/C18H15N5O4/c1-12(10-17(24)20-15-8-4-2-6-13(15)11-19)21-22-18(25)14-7-3-5-9-16(14)23(26)27/h2-9H,10H2,1H3,(H,20,24)(H,22,25)/b21-12+